SCHEMBL3314092

SCHEMBL3314092

COC(=O)C(O)=CC(=O)c1cc(F)c(F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.33
MAPT P10636 2/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
APEX1 P27695 1/20 0.32
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
ALPL P05186 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
GAA P10253 2/20 0.31
LMNA P02545 2/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3314087 1.00 PKM (0.33) PKMMAPTPOLBALDH1A1KDM4E
SCHEMBL25142172 0.83 POLB (0.33) MAPTPOLBALDH1A1APEX1RAB9A
SCHEMBL3311267 0.83 CES2 (0.47) MAPTALDH1A1KDM4ENPC1CYP11B1
SCHEMBL3311272 0.83 CES2 (0.47) MAPTALDH1A1KDM4ENPC1CYP11B1
SCHEMBL3308702 0.80 KEAP1 (0.32) CYP11B1CYP11B2
SCHEMBL3308707 0.80 KEAP1 (0.32) CYP11B1CYP11B2
SCHEMBL3308709 0.80 KEAP1 (0.32) CYP11B1CYP11B2
SCHEMBL23172237 0.80 DGAT1 (0.47) MAPTALDH1A1RAB9ANPC1GAA
SCHEMBL23035483 0.80 DGAT1 (0.47) MAPTALDH1A1RAB9ANPC1GAA
SCHEMBL34470491 0.80 CXCL12 (0.48) MAPTPOLBALDH1A1RAB9ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664255-B2 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-03-04 US claimed
US-20140171444-A1 Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-06-19 US disclosed
US-8664255-B2 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-03-04 US disclosed
US-20100113477-A1 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof TEXAS A&M UNIVERSITY SYSTEM, THE 2010-05-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100113477-A1 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof ME3, ME1, MDH1 PKM 379/4885MAPT 1964/4885POLB 545/4885
US-20140171444-A1 Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof ME3, ME1, MDH1 PKM 379/4885MAPT 1964/4885POLB 545/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.